Journal
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
Volume 43, Issue 3, Pages 569-576Publisher
ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER
DOI: 10.1016/j.ejmech.2007.04.011
Keywords
QSAR; heuristic method; radial basis function network; neuraminidase inhibitors
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Neuraminidase (NA) is a critical enzyme of the influenza virus and many inhibitors targeting this enzyme are quite efficient anti-influenza agents. In this paper, quantitative structure-activity relationship (QSAR) method was used to predict the activity of different kinds of 46 NA inhibitors. Heuristic method (HM) and radial basis function network (RBFNN) were first used to build linear and nonlinear models, respectively. The prediction results were in agreement with the experimental value. The proposed model is simple and can be extended to other QSAR investigations. (c) 2007 Published by Elsevier Masson SAS.
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